SCHEMBL6843644

SCHEMBL6843644

Cn1c(NC2CCCCC2)nc2nc(N3CCCC(NC(=O)O)C3)n(Cc3ccccc3)c2c1=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
MAPK1 P28482 2/20 0.53
TP53 P04637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
DPP4 P27487 13/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.49
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
PDE5A O76074 2/20 0.46
NPSR1 Q6W5P4 2/20 0.42
RECQL P46063 1/20 0.42
FAP Q12884 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6838796 0.92 DPP4 (0.51) TSHRMAPK1TP53HSD17B10DPP4
SCHEMBL6838716 0.91 DPP4 (0.53) TSHRMAPK1TP53HSD17B10DPP4
SCHEMBL6838791 0.90 DPP4 (0.47) TSHRMAPK1TP53HSD17B10DPP4
SCHEMBL6846144 0.90 DPP4 (0.49) TSHRMAPK1TP53HSD17B10DPP4
SCHEMBL3971305 0.89 DPP4 (0.63) TSHRMAPK1TP53HSD17B10DPP4
SCHEMBL6838812 0.89 DPP4 (0.53) TSHRMAPK1TP53HSD17B10DPP4
SCHEMBL6846148 0.89 DPP4 (0.48) TSHRMAPK1TP53HSD17B10DPP4
SCHEMBL3971184 0.88 DPP4 (0.64) TSHRMAPK1TP53HSD17B10DPP4
SCHEMBL6843487 0.87 DPP4 (0.54) TSHRMAPK1DPP4ALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL3973458 0.86 DPP4 (0.56) TSHRMAPK1TP53HSD17B10DPP4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040122228-A1 New purine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040122228-A1 New purine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP7, DPP3 TSHR 2158/4885MAPK1 1025/4885TP53 4315/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.